Description

Benzyl (2R)-3-N,n-Dibenzylamino-2-Fluoropropanoate-13C3 is a stable isotope-labeled (13C3) chiral building block of significant value in advanced pharmaceutical research and development. This compound serves as a critical intermediate for the synthesis of complex, fluorinated active pharmaceutical ingredients (APIs), enabling precise metabolic and pharmacokinetic studies through mass spectrometry. It is primarily utilized by pharmaceutical companies, contract research organizations (CROs), and academic institutions engaged in the development of novel therapeutics, particularly in the areas of oncology and neurology where fluorinated compounds are prevalent.

Application

• Isotope-Labeled Pharmaceutical Intermediate: A key chiral synthon for the synthesis of 13C-labeled drug candidates and metabolites.
• Mass Spectrometry Tracer: Used in quantitative bioanalysis (LC-MS/MS) for accurate pharmacokinetic (PK) and absorption, distribution, metabolism, and excretion (ADME) studies.
• Fluorinated API Development: Enables the incorporation of a fluorine atom and a chiral center into target molecules, a common strategy to modulate drug potency and metabolic stability.
• Reference Standard: Serves as a high-purity certified reference material (CRM) for analytical method development and validation.
• Medicinal Chemistry Research: Facilitates structure-activity relationship (SAR) studies by providing a labeled version of a key pharmacophore.
• Process Chemistry: Used in route scouting and optimization for the scalable production of labeled APIs under Good Manufacturing Practice (GMP) conditions.

Basic Information

Product Name	Benzyl (2R)-3-N,n-Dibenzylamino-2-Fluoropropanoate-13C3
CAS No.	1217853-98-9
Molecular Formula	C24H23F13C3NO2 *
Molecular Weight	~404.45 g/mol (for 13C3 labeled form) *
Synonyms	(2R)-3-(Dibenzylamino)-2-fluoropropanoic Acid Benzyl Ester-13C3
Benzyl 3-(Dibenzylamino)-2-fluoropropanoate-13C3, (2R)-
(R)-Benzyl 3-(Dibenzylamino)-2-fluoropropanoate-13C3
13C3-Labeled Benzyl 2-Fluoro-3-(dibenzylamino)propanoate
Benzyl (R)-2-Fluoro-3-(dibenzylamino)propionate-13C3
Benzyl 2-Fluoro-3-(N,N-dibenzylamino)propanoate-13C3 (R-enantiomer)
1217853-98-9 (CAS Registry Number)
EINECS	Contact for details

* Calculated for the 13C3 labeled isotopologue. Exact values depend on isotopic enrichment.

Quality Control

Our Benzyl (2R)-3-N,n-Dibenzylamino-2-Fluoropropanoate-13C3 is produced and controlled under a strict quality management system. Each batch undergoes comprehensive analytical testing to ensure high chemical and isotopic purity, correct chiral integrity, and conformity to customer specifications. A detailed Certificate of Analysis (COA) is provided with each shipment, reporting key parameters such as assay (HPLC), enantiomeric excess (Chiral HPLC), isotopic enrichment (MS), and impurity profile. Our quality commitment supports applications in regulated environments.

Storage

Preserve in a tightly closed container, protected from light. For long-term storage, keep at -20°C or below under an inert atmosphere (e.g., argon or nitrogen) to maintain stability and isotopic integrity. Allow the container to reach room temperature in a dry environment before opening to prevent condensation and moisture uptake.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Enantiomeric Excess (Chiral HPLC)	≥ 99.0%
Isotopic Enrichment (13C3)	≥ 99 atom % 13C
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.